(2Z)-2-[(2,6-dimethyl-1-phenyl-pyridin-1-ium-4-yl)methylidene]-3-(phenylmethyl)-1,3-benzothiazole

Systemtic Name: (2Z)-2-[(2,6-dimethyl-1-phenyl-pyridin-1-ium-4-yl)methylidene]-3-(phenylmethyl)-1,3-benzothiazole Openeye Name: (2Z)-3-benzyl-2-[(2,6-dimethyl-1-phenyl-pyridin-1-ium-4-yl)methylene]-1,3-benzothiazole CAS Name: (2Z)-2-[(2,6-dimethyl-1-phenyl-4-pyridin-1-iumyl)methylidene]-3-(phenylmethyl)-1,3-benzothiazole IUPAC Name: (2Z)-3-benzyl-2-[(2,6-dimethyl-1-phenylpyridin-1-ium-4-yl)methylidene]-1,3-benzothiazole Traditional Name: (2Z)-3-benzyl-2-[(2,6-dimethyl-1-phenyl-pyridin-1-ium-4-yl)methylene]-1,3-benzothiazole Formula: C28H25N2S+ MolecularWeight: 421.5765

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=[N+]1C2=CC=CC=C2)C)C=C3N(C4=CC=CC=C4S3)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC(=CC(=[N+]1C2=CC=CC=C2)C)/C=C\3/N(C4=CC=CC=C4S3)CC5=CC=CC=C5

InChI

InChI=1S/C28H25N2S/c1-21-17-24(18-22(2)30(21)25-13-7-4-8-14-25)19-28-29(20-23-11-5-3-6-12-23)26-15-9-10-16-27(26)31-28/h3-19H,20H2,1-2H3/q+1